4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide

C14H16N2O3S2 — CID 60724039

IUPAC4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC1CCCc2ccccc21
InChIInChI=1S/C14H16N2O3S2/c1-9-13(20-14(17)15-9)21(18,19)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12,16H,4,6,8H2,1H3,(H,15,17)
InChIKeyUNYMZHBYPLRXDG-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.10
Rot. Bonds3

About 4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide

4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60724039) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID60724039
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC1CCCc2ccccc21
InChIInChI=1S/C14H16N2O3S2/c1-9-13(20-14(17)15-9)21(18,19)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12,16H,4,6,8H2,1H3,(H,15,17)
InChIKeyUNYMZHBYPLRXDG-UHFFFAOYSA-N
XLogP2.10
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide with MolForge

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Related Compounds

6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide
CID 28561014
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777909
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
CID 20923057
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3325789
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-sulfonamide
CID 102692407
3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide
CID 20921810
4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20917434

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide (CID 60724039) is 4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NC1CCCc2ccccc21.
What is the InChIKey of 4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is UNYMZHBYPLRXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-9-13(20-14(17)15-9)21(18,19)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12,16H,4,6,8H2,1H3,(H,15,17).
What are the key properties of 4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 324.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60724039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).